3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol

C14H22N2O — CID 105494994

IUPAC3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCCN(CC)CC1Cc2cccc(O)c2CN1
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-12-8-11-6-5-7-14(17)13(11)9-15-12/h5-7,12,15,17H,3-4,8-10H2,1-2H3
InChIKeyQFUXAKJTYBZBGN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.75
Rot. Bonds4

About 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol

3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 105494994) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID105494994
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCCN(CC)CC1Cc2cccc(O)c2CN1
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-12-8-11-6-5-7-14(17)13(11)9-15-12/h5-7,12,15,17H,3-4,8-10H2,1-2H3
InChIKeyQFUXAKJTYBZBGN-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105472938
1-[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanone
CID 59916130
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84718500
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 105436631
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462026
N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105456793
N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 112660760
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 23344353
3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 59323086

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 105494994) is 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is CCN(CC)CC1Cc2cccc(O)c2CN1.
What is the InChIKey of 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is QFUXAKJTYBZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(4-2)10-12-8-11-6-5-7-14(17)13(11)9-15-12/h5-7,12,15,17H,3-4,8-10H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 234.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 105494994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).